2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperidin-4-yl]acetamide

C27H38N4O4 — CID 134098984

IUPAC2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperidin-4-yl]acetamide
SMILESCCOc1ccc(CC(=O)NC2CCN(C3CC(c4ccc(OC)cc4)NN3)CC2)cc1OCC
InChIInChI=1S/C27H38N4O4/c1-4-34-24-11-6-19(16-25(24)35-5-2)17-27(32)28-21-12-14-31(15-13-21)26-18-23(29-30-26)20-7-9-22(33-3)10-8-20/h6-11,16,21,23,26,29-30H,4-5,12-15,17-18H2,1-3H3,(H,28,32)
InChIKeySYTMOIQNGQOXJF-UHFFFAOYSA-N
MW482.63 g/mol
LogP3.18
Rot. Bonds10

About 2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperidin-4-yl]acetamide

2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperidin-4-yl]acetamide (PubChem CID 134098984) has the molecular formula C27H38N4O4 and a molecular weight of 482.63 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperidin-4-yl]acetamide
PubChem CID134098984
Molecular FormulaC27H38N4O4
Molecular Weight482.63 g/mol
Exact Mass482.29
IUPAC Name2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperidin-4-yl]acetamide
SMILESCCOc1ccc(CC(=O)NC2CCN(C3CC(c4ccc(OC)cc4)NN3)CC2)cc1OCC
InChIInChI=1S/C27H38N4O4/c1-4-34-24-11-6-19(16-25(24)35-5-2)17-27(32)28-21-12-14-31(15-13-21)26-18-23(29-30-26)20-7-9-22(33-3)10-8-20/h6-11,16,21,23,26,29-30H,4-5,12-15,17-18H2,1-3H3,(H,28,32)
InChIKeySYTMOIQNGQOXJF-UHFFFAOYSA-N
XLogP3.18
TPSA84.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide
CID 75528321
N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-phenylacetamide
CID 134099098
N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-methoxy-2-methylbenzamide
CID 134099047
3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134098869
5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide
CID 134099058
3-(3,4-diethoxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 99972464
2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55959801
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]propanamide
CID 108556122
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide
CID 99949717
1-[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 134088298
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperidin-4-yl]acetamide (CID 134098984) is 2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperidin-4-yl]acetamide is CCOc1ccc(CC(=O)NC2CCN(C3CC(c4ccc(OC)cc4)NN3)CC2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperidin-4-yl]acetamide?
The InChIKey is SYTMOIQNGQOXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O4/c1-4-34-24-11-6-19(16-25(24)35-5-2)17-27(32)28-21-12-14-31(15-13-21)26-18-23(29-30-26)20-7-9-22(33-3)10-8-20/h6-11,16,21,23,26,29-30H,4-5,12-15,17-18H2,1-3H3,(H,28,32).
What are the key properties of 2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperidin-4-yl]acetamide?
2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperidin-4-yl]acetamide has a molecular weight of 482.63 g/mol, XLogP of 3.18, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 134098984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).